4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide

C10H20N2O3S2 — CID 79681296

IUPAC4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide
SMILESCCS(=O)(=O)CCCN1CCOC(C(N)=S)C1
InChIInChI=1S/C10H20N2O3S2/c1-2-17(13,14)7-3-4-12-5-6-15-9(8-12)10(11)16/h9H,2-8H2,1H3,(H2,11,16)
InChIKeyICMSOLIATPGULU-UHFFFAOYSA-N
MW280.41 g/mol
LogP-0.20
Rot. Bonds6

About 4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide

4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide (PubChem CID 79681296) has the molecular formula C10H20N2O3S2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide
PubChem CID79681296
Molecular FormulaC10H20N2O3S2
Molecular Weight280.41 g/mol
Exact Mass280.09
IUPAC Name4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide
SMILESCCS(=O)(=O)CCCN1CCOC(C(N)=S)C1
InChIInChI=1S/C10H20N2O3S2/c1-2-17(13,14)7-3-4-12-5-6-15-9(8-12)10(11)16/h9H,2-8H2,1H3,(H2,11,16)
InChIKeyICMSOLIATPGULU-UHFFFAOYSA-N
XLogP-0.20
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-nonylmorpholine-2-carbothioamide
CID 79681304
4-(4-methylpentyl)morpholine-2-carbothioamide
CID 83156168
4-(2-tert-butylsulfonylethyl)morpholine-2-carbothioamide
CID 106724887
4-(3-hydroxypropyl)morpholine-2-carbothioamide
CID 79681555
4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide
CID 79681028
2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine
CID 81214049
2-(2-carbamothioylmorpholin-4-yl)acetamide
CID 79680931
4-(4-phenylbutyl)morpholine-2-carbothioamide
CID 114333646
N'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide
CID 79681146
4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide
CID 79681740
N'-hydroxy-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide
CID 106725380
3-(2-methylmorpholin-4-yl)propane-1-sulfonic acid
CID 118436012

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide?
The IUPAC name of 4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide (CID 79681296) is 4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide is CCS(=O)(=O)CCCN1CCOC(C(N)=S)C1.
What is the InChIKey of 4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide?
The InChIKey is ICMSOLIATPGULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S2/c1-2-17(13,14)7-3-4-12-5-6-15-9(8-12)10(11)16/h9H,2-8H2,1H3,(H2,11,16).
What are the key properties of 4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide?
4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide has a molecular weight of 280.41 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide is sourced from PubChem (CID 79681296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).